#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ijl h LEU 2 N 0.00 0.00 -0.41 1.04 3.38 -1.67 0.45 115.31 118.11 1ijl h LEU 2 Ca 0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1ijl h LEU 2 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1ijl h LEU 2 CO 0.00 0.00 -0.16 0.40 0.09 0.00 0.00 178.44 178.77 1ijl h ILE 3 N 0.00 1.28 -0.20 1.22 2.04 -1.97 -0.61 117.51 119.27 1ijl h ILE 3 Ca 0.27 -1.29 -0.14 0.00 1.00 0.00 0.00 64.86 64.69 1ijl h ILE 3 Cb 1.27 1.25 0.00 0.00 -0.74 0.00 0.00 36.82 38.60 1ijl h ILE 3 CO -0.00 0.43 -0.43 1.56 0.00 0.00 0.00 178.15 179.71 1ijl h GLN 4 N 0.65 0.64 -0.90 2.37 4.20 -0.65 -1.94 115.11 119.48 1ijl h GLN 4 Ca 0.10 -0.42 0.08 0.00 0.06 0.00 0.00 58.65 58.47 1ijl h GLN 4 Cb 0.71 0.06 -0.07 0.00 0.30 0.00 0.00 27.48 28.48 1ijl h GLN 4 CO 0.05 1.04 0.55 0.35 -0.67 0.00 0.00 178.83 180.16 1ijl h PHE 5 N 0.33 1.01 -0.65 2.96 -0.00 -0.72 0.30 116.94 120.16 1ijl h PHE 5 Ca 0.00 0.03 -0.06 0.00 -0.00 0.00 0.00 57.97 57.94 1ijl h PHE 5 Cb 1.03 -0.32 -0.03 0.00 -0.00 0.00 0.00 35.95 36.63 1ijl h PHE 5 CO 0.09 0.46 0.17 1.49 -0.00 0.00 0.00 178.31 180.52 1ijl h GLU 6 N 0.95 1.02 0.00 1.11 4.81 -0.95 -2.20 114.58 119.31 1ijl h GLU 6 Ca 0.42 -0.22 -0.15 0.00 -0.13 0.00 0.00 59.36 59.28 1ijl h GLU 6 Cb 0.30 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 1ijl h GLU 6 CO -0.22 0.89 -0.71 1.15 -0.73 0.00 0.00 179.01 179.40 1ijl h THR 7 N 0.97 1.33 -0.08 0.32 2.02 -0.45 -3.20 112.91 113.82 1ijl h THR 7 Ca 0.21 -2.58 -0.15 0.00 0.77 0.00 0.00 66.41 64.66 1ijl h THR 7 Cb 0.32 2.46 -0.01 0.00 -1.74 0.00 0.00 68.15 69.18 1ijl h THR 7 CO -0.00 0.69 -0.62 -0.07 0.37 0.00 0.00 175.52 175.89 1ijl h LEU 8 N 0.00 0.35 -0.50 2.58 4.07 -0.12 -2.33 115.31 119.36 1ijl h LEU 8 Ca -0.01 -0.20 -0.09 0.00 0.08 0.00 0.00 57.88 57.65 1ijl h LEU 8 Cb 1.40 -0.10 -0.02 0.00 1.08 0.00 0.00 40.66 43.03 1ijl h LEU 8 CO 0.09 0.88 -0.06 0.40 -1.08 0.00 0.00 178.44 178.68 1ijl h ILE 9 N 0.22 1.27 -0.47 1.22 2.04 -1.41 0.51 117.51 120.89 1ijl h ILE 9 Ca -0.01 -1.17 -0.13 0.00 1.00 0.00 0.00 64.86 64.55 1ijl h ILE 9 Cb 1.15 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 38.22 1ijl h ILE 9 CO 0.10 0.41 -0.21 0.24 0.00 0.00 0.00 178.15 178.69 1ijl h MET 10 N 0.78 0.96 -0.16 2.37 2.86 -1.54 0.33 114.93 120.53 1ijl h MET 10 Ca 0.13 -0.40 -0.07 0.00 -2.06 0.00 0.00 59.70 57.31 1ijl h MET 10 Cb 0.60 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.22 1ijl h MET 10 CO 0.04 1.07 -0.15 0.87 1.06 0.00 0.00 176.91 179.79 1ijl h LYS 11 N 0.83 0.39 0.07 1.72 1.57 -1.24 -0.85 116.57 119.06 1ijl h LYS 11 Ca 0.11 -0.20 -0.20 0.00 -1.87 0.00 0.00 60.65 58.49 1ijl h LYS 11 Cb 0.78 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.09 1ijl h LYS 11 CO 0.06 0.76 -1.00 0.28 -0.57 0.00 0.00 179.45 178.98 1ijl h VAL 12 N 0.03 1.23 0.00 0.50 2.07 -0.94 -3.37 116.25 115.77 1ijl h VAL 12 Ca 0.03 -2.36 0.00 0.00 0.82 0.00 0.00 66.70 65.19 1ijl h VAL 12 Cb 0.69 2.82 0.00 0.00 -1.52 0.00 0.00 31.29 33.27 1ijl h VAL 12 CO 0.04 0.60 -0.71 0.58 0.02 0.00 0.00 177.57 178.10 1ijl h VAL 13 N -0.61 0.00 -5.87 2.57 2.07 -1.11 -3.47 116.25 109.84 1ijl h VAL 13 Ca -0.23 -0.89 -0.38 0.00 0.82 0.00 0.00 66.70 66.02 1ijl h VAL 13 Cb 1.49 1.52 0.11 0.00 -1.52 0.00 0.00 31.29 32.89 1ijl h VAL 13 CO 0.00 0.00 -0.77 0.29 0.02 0.00 0.00 177.57 177.11 1ijl n LYS 14 N -2.65 -6.30 -3.93 1.57 5.02 -0.33 -4.94 118.16 106.60 1ijl n LYS 14 Ca 0.02 0.76 -0.09 0.00 -2.02 0.00 0.00 58.31 56.97 1ijl n LYS 14 Cb 0.52 -5.64 -0.06 0.00 -0.02 0.00 0.00 35.03 29.83 1ijl n LYS 14 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1ijl s LYS 15 N -5.83 1.36 -0.27 1.97 1.02 -1.25 -5.02 119.74 111.72 1ijl s LYS 15 Ca 0.17 -1.15 -0.25 0.00 0.02 0.00 0.00 55.97 54.77 1ijl s LYS 15 Cb -0.08 0.44 -0.00 0.00 -0.52 0.00 0.00 37.83 37.67 1ijl s LYS 15 CO 0.76 -0.55 0.84 0.45 -0.92 0.00 0.00 175.35 175.94 1ijl s SER 16 N -2.97 6.78 0.23 2.83 0.15 -1.26 -3.53 113.70 115.93 1ijl s SER 16 Ca 0.18 0.89 0.08 0.00 0.70 0.00 0.00 55.95 57.81 1ijl s SER 16 Cb 0.01 -2.44 0.21 0.00 -1.71 0.00 0.00 66.02 62.10 1ijl s SER 16 CO 0.03 -0.59 1.53 1.23 1.20 0.00 0.00 173.24 176.64 1ijl h GLY 17 N 9.38 0.05 1.64 9.45 0.00 -1.91 -2.71 103.07 118.98 1ijl h GLY 17 Ca -0.23 -0.08 -0.13 0.00 0.00 0.00 0.00 47.33 46.89 1ijl h GLY 17 CO 0.89 0.07 -0.46 1.98 0.00 0.00 0.00 176.54 179.02 1ijl h MET 18 N 0.03 0.39 -0.12 4.80 1.85 -1.93 -0.44 114.93 119.52 1ijl h MET 18 Ca -0.01 -0.21 0.00 0.00 -0.61 0.00 0.00 59.70 58.87 1ijl h MET 18 Cb 1.25 0.01 0.00 0.00 0.43 0.00 0.00 31.60 33.29 1ijl h MET 18 CO 0.10 0.78 0.00 1.19 -0.40 0.00 0.00 176.91 178.57 1ijl n PHE 19 N -3.99 0.13 0.00 1.39 3.01 -1.22 -3.86 117.46 112.93 1ijl n PHE 19 Ca -0.02 -0.09 0.00 0.00 1.01 0.00 0.00 57.45 58.35 1ijl n PHE 19 Cb 0.53 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.00 1ijl n PHE 19 CO 0.00 0.00 0.00 0.91 1.01 0.00 0.00 176.76 178.68 1ijl n TRP 20 N 1.04 0.00 -0.86 1.38 5.03 -1.02 -4.90 117.44 118.11 1ijl n TRP 20 Ca 0.12 0.00 0.01 0.00 3.03 0.00 0.00 57.50 60.66 1ijl n TRP 20 Cb 0.47 0.00 0.01 0.00 -1.03 0.00 0.00 31.31 30.76 1ijl n TRP 20 CO 0.00 0.00 0.00 0.66 -0.03 0.00 0.00 177.69 178.32 1ijl n TYR 21 N -1.08 0.00 0.72 -5.99 4.01 -0.19 -4.77 117.16 109.87 1ijl n TYR 21 Ca 0.00 -0.23 0.11 0.00 -0.16 0.00 0.00 57.90 57.62 1ijl n TYR 21 Cb 0.06 -0.03 0.27 0.00 -0.31 0.00 0.00 39.34 39.33 1ijl n TYR 21 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1ijl n SER 22 N -0.27 2.70 -2.67 7.72 3.41 -1.11 -3.90 113.62 119.50 1ijl n SER 22 Ca 0.01 -1.88 -0.02 0.00 -0.26 0.00 0.00 58.87 56.72 1ijl n SER 22 Cb 0.47 -0.18 0.12 0.00 -0.26 0.00 0.00 64.21 64.36 1ijl n SER 22 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ijl n ALA 23 N 1.01 2.89 -2.80 7.33 0.00 -1.10 -4.20 120.51 123.63 1ijl n ALA 23 Ca 0.18 -1.15 -0.35 0.00 0.00 0.00 0.00 53.44 52.12 1ijl n ALA 23 Cb 0.49 -0.82 -0.09 0.00 0.00 0.00 0.00 19.45 19.03 1ijl n ALA 23 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1ijl s TYR 24 N -0.21 3.26 0.00 0.00 5.04 0.07 -0.99 117.35 124.52 1ijl s TYR 24 Ca 0.11 0.14 0.00 0.00 -2.44 0.00 0.00 57.07 54.87 1ijl s TYR 24 Cb 0.44 -1.97 0.00 0.00 0.35 0.00 0.00 41.96 40.78 1ijl s TYR 24 CO -0.12 0.31 0.00 0.41 -1.34 0.00 0.00 175.55 174.80 1ijl n GLY 25 N 2.93 2.00 0.00 8.97 0.00 -0.07 -1.71 105.19 117.32 1ijl n GLY 25 Ca -0.18 -0.46 0.10 0.00 0.00 0.00 0.00 46.02 45.49 1ijl n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ijl n TYR 27 N -1.83 0.00 -2.58 0.00 4.01 -1.25 -3.30 117.16 112.21 1ijl n TYR 27 Ca 0.01 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.33 1ijl n TYR 27 Cb 0.43 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.43 1ijl n TYR 27 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1ijl n GLY 29 N 5.54 -0.28 3.69 0.00 0.00 -1.25 -0.75 105.19 112.13 1ijl n GLY 29 Ca 0.06 -1.71 -0.42 0.00 0.00 0.00 0.00 46.02 43.95 1ijl n GLY 29 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1ijl s TRP 30 N -1.63 2.82 0.00 1.61 -0.11 -1.26 -4.72 118.94 115.66 1ijl s TRP 30 Ca 0.00 0.81 0.00 0.00 1.22 0.00 0.00 56.10 58.13 1ijl s TRP 30 Cb 0.00 -3.66 0.00 0.00 -1.50 0.00 0.00 33.47 28.31 1ijl s TRP 30 CO 0.00 -2.46 0.00 0.41 -4.62 0.00 0.00 176.95 170.28 1ijl n GLY 31 N 3.66 -0.11 0.00 5.86 0.00 -1.26 -5.04 105.19 108.30 1ijl n GLY 31 Ca 0.13 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.87 1ijl n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ijl n GLY 32 N 0.00 4.25 3.58 -0.02 0.00 -1.26 -4.79 105.19 106.94 1ijl n GLY 32 Ca 0.00 -0.79 -0.07 0.00 0.00 0.00 0.00 46.02 45.16 1ijl n GLY 32 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ijl s HIS 33 N -1.69 -0.28 0.00 1.61 5.04 -1.21 -5.02 115.29 113.74 1ijl s HIS 33 Ca 0.00 0.09 0.00 0.00 -1.54 0.00 0.00 55.06 53.61 1ijl s HIS 33 Cb 0.00 0.57 0.00 0.00 0.04 0.00 0.00 32.58 33.19 1ijl s HIS 33 CO 0.00 -0.64 0.00 0.41 -2.34 0.00 0.00 174.74 172.17 1ijl n GLY 34 N -0.32 -0.40 3.46 1.59 0.00 -1.00 -4.74 105.19 103.77 1ijl n GLY 34 Ca -0.08 -1.22 -0.31 0.00 0.00 0.00 0.00 46.02 44.41 1ijl n GLY 34 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ijl s ARG 35 N 0.00 2.11 0.25 1.61 0.52 -1.26 -3.78 118.95 118.40 1ijl s ARG 35 Ca 0.00 -0.96 -0.30 0.00 -0.52 0.00 0.00 55.73 53.95 1ijl s ARG 35 Cb 0.00 -2.20 -0.11 0.00 0.52 0.00 0.00 34.95 33.16 1ijl s ARG 35 CO 0.00 0.55 1.53 -2.14 0.02 0.00 0.00 175.30 175.26 1ijl s PRO 36 N -1.37 4.19 0.28 3.54 0.02 -1.26 -4.64 135.00 135.75 1ijl s PRO 36 Ca 0.14 2.44 0.23 0.00 0.02 0.00 0.00 61.00 63.84 1ijl s PRO 36 Cb -0.10 -3.08 0.26 0.00 0.02 0.00 0.00 34.50 31.60 1ijl s PRO 36 CO 0.05 -0.55 1.37 1.96 -0.33 0.00 0.00 177.00 179.50 1ijl h GLN 37 N 5.27 0.00 0.00 5.54 1.08 -1.96 -3.47 115.11 121.57 1ijl h GLN 37 Ca -0.46 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.74 1ijl h GLN 37 Cb 1.22 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.65 1ijl h GLN 37 CO 0.81 0.00 0.00 -0.40 -0.95 0.00 0.00 178.83 178.29 1ijl n ASP 38 N -2.70 0.00 -0.11 1.46 3.85 -1.26 -5.01 116.55 112.78 1ijl n ASP 38 Ca 0.03 -0.48 -0.12 0.00 -0.71 0.00 0.00 54.79 53.51 1ijl n ASP 38 Cb 0.51 0.00 -0.03 0.00 -1.35 0.00 0.00 41.12 40.25 1ijl n ASP 38 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1ijl h ALA 39 N 2.00 0.44 -0.74 2.12 0.00 -1.94 -1.14 119.26 120.00 1ijl h ALA 39 Ca 0.00 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 1ijl h ALA 39 Cb 0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1ijl h ALA 39 CO 0.00 0.29 0.26 1.15 0.00 0.00 0.00 179.25 180.95 1ijl h THR 40 N 0.40 1.26 -0.22 0.00 2.02 -1.91 -1.99 112.91 112.47 1ijl h THR 40 Ca 0.08 -0.86 -0.09 0.00 0.77 0.00 0.00 66.41 66.31 1ijl h THR 40 Cb 0.59 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 1ijl h THR 40 CO 0.03 0.34 -0.26 -0.78 0.37 0.00 0.00 175.52 175.23 1ijl h ASP 41 N 1.09 0.41 0.16 4.18 3.58 -1.90 -2.56 116.42 121.38 1ijl h ASP 41 Ca 0.24 -0.14 -0.13 0.00 0.42 0.00 0.00 57.03 57.43 1ijl h ASP 41 Cb 0.27 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.19 1ijl h ASP 41 CO -0.01 0.67 -0.45 -0.09 -2.88 0.00 0.00 179.24 176.47 1ijl h ARG 42 N 0.36 0.36 -0.79 0.28 2.43 -0.77 -1.71 114.38 114.54 1ijl h ARG 42 Ca 0.05 -0.19 0.06 0.00 -0.81 0.00 0.00 59.98 59.10 1ijl h ARG 42 Cb 0.65 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 30.15 1ijl h ARG 42 CO 0.05 0.74 0.47 0.00 -1.51 0.00 0.00 179.97 179.72 1ijl h PHE 45 N 0.64 0.61 -0.57 0.00 3.04 -0.64 -0.03 116.94 119.99 1ijl h PHE 45 Ca 0.03 -0.01 -0.06 0.00 3.98 0.00 0.00 57.97 61.91 1ijl h PHE 45 Cb 1.05 -0.20 -0.03 0.00 2.56 0.00 0.00 35.95 39.33 1ijl h PHE 45 CO 0.06 0.46 0.11 0.28 -2.02 0.00 0.00 178.31 177.20 1ijl h VAL 46 N 0.59 1.24 -0.66 1.41 2.07 -0.87 -1.07 116.25 118.97 1ijl h VAL 46 Ca 0.16 -0.91 -0.07 0.00 0.82 0.00 0.00 66.70 66.70 1ijl h VAL 46 Cb 0.05 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 1ijl h VAL 46 CO -0.03 0.34 0.14 -0.74 0.02 0.00 0.00 177.57 177.30 1ijl h HIS 47 N 0.86 1.13 -0.61 1.57 -0.00 -0.76 0.28 115.15 117.62 1ijl h HIS 47 Ca 0.18 -0.14 -0.05 0.00 -0.00 0.00 0.00 60.37 60.35 1ijl h HIS 47 Cb 0.36 -0.31 -0.03 0.00 -0.00 0.00 0.00 27.41 27.43 1ijl h HIS 47 CO 0.02 0.94 0.18 -0.44 -0.00 0.00 0.00 177.93 178.63 1ijl h ASP 48 N 0.99 0.90 0.24 3.26 5.19 -0.74 -1.25 116.42 125.02 1ijl h ASP 48 Ca 0.20 -0.22 -0.08 0.00 -0.62 0.00 0.00 57.03 56.32 1ijl h ASP 48 Cb 0.40 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.66 1ijl h ASP 48 CO 0.01 0.88 -0.31 0.00 -3.12 0.00 0.00 179.24 176.69 1ijl h TYR 51 N -0.30 0.25 0.00 0.00 0.99 -1.16 -2.11 116.97 114.64 1ijl h TYR 51 Ca -0.01 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1ijl h TYR 51 Cb 0.79 -0.08 0.00 0.00 1.00 0.00 0.00 36.73 38.44 1ijl h TYR 51 CO 0.13 0.15 0.00 0.41 -0.00 0.00 0.00 178.16 178.85 1ijl n GLY 52 N -1.52 -1.25 0.75 3.88 0.00 -0.96 -2.99 105.19 103.09 1ijl n GLY 52 Ca 0.02 -0.10 0.08 0.00 0.00 0.00 0.00 46.02 46.01 1ijl n GLY 52 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ijl n LYS 53 N -1.42 2.02 -3.02 1.61 5.02 -0.80 -4.92 118.16 116.65 1ijl n LYS 53 Ca 0.08 -1.85 -0.42 0.00 -2.02 0.00 0.00 58.31 54.10 1ijl n LYS 53 Cb 0.25 -1.33 -0.06 0.00 -0.02 0.00 0.00 35.03 33.88 1ijl n LYS 53 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1ijl s VAL 54 N -1.12 4.81 -0.07 -0.18 1.01 -1.16 -5.04 120.40 118.64 1ijl s VAL 54 Ca 0.25 0.85 0.04 0.00 0.00 0.00 0.00 61.98 63.12 1ijl s VAL 54 Cb 0.15 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.39 1ijl s VAL 54 CO 0.20 -0.33 -0.19 -0.89 0.00 0.00 0.00 175.10 173.89 1ijl s THR 55 N 2.90 1.64 0.00 3.92 2.01 -1.26 -4.71 115.64 120.15 1ijl s THR 55 Ca 0.29 -0.79 0.00 0.00 0.31 0.00 0.00 61.69 61.49 1ijl s THR 55 Cb -0.14 -1.43 0.00 0.00 0.01 0.00 0.00 72.50 70.94 1ijl s THR 55 CO 0.15 0.47 0.00 0.61 -0.69 0.00 0.00 174.62 175.16 1ijl n GLY 56 N 3.48 0.88 3.61 4.40 0.00 -1.26 -4.97 105.19 111.34 1ijl n GLY 56 Ca -0.20 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.83 1ijl n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ijl s ASP 58 N -2.88 5.76 0.46 0.00 3.68 -1.26 -4.98 116.67 117.45 1ijl s ASP 58 Ca 0.14 -0.81 0.31 0.00 2.13 0.00 0.00 52.55 54.32 1ijl s ASP 58 Cb 0.04 -2.04 1.65 0.00 -1.45 0.00 0.00 42.92 41.12 1ijl s ASP 58 CO -0.04 -0.33 1.95 1.55 0.13 0.00 0.00 175.17 178.43 1ijl h PRO 59 N 8.44 0.00 0.07 4.34 0.13 -1.89 -0.58 132.00 142.51 1ijl h PRO 59 Ca -0.28 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.49 1ijl h PRO 59 Cb 1.12 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.21 1ijl h PRO 59 CO 0.66 0.00 -2.05 1.63 -0.23 0.00 0.00 178.00 178.01 1ijl n LYS 60 N -2.61 0.69 -0.08 0.86 5.02 -1.26 -4.35 118.16 116.43 1ijl n LYS 60 Ca -0.02 0.28 -0.07 0.00 -2.02 0.00 0.00 58.31 56.49 1ijl n LYS 60 Cb 0.08 -1.65 -0.13 0.00 -0.02 0.00 0.00 35.03 33.30 1ijl n LYS 60 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1ijl n MET 61 N -3.64 1.24 -2.18 1.97 2.81 -1.19 -2.37 117.12 113.75 1ijl n MET 61 Ca -0.37 -0.02 -0.41 0.00 -1.81 0.00 0.00 57.70 55.09 1ijl n MET 61 Cb 0.96 -1.43 -0.03 0.00 -0.71 0.00 0.00 33.22 32.02 1ijl n MET 61 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1ijl s ASP 62 N -4.99 6.87 -0.13 7.83 1.01 -0.23 -4.73 116.67 122.30 1ijl s ASP 62 Ca -0.08 2.58 -0.08 0.00 0.71 0.00 0.00 52.55 55.69 1ijl s ASP 62 Cb 0.05 -2.64 -0.04 0.00 1.01 0.00 0.00 42.92 41.30 1ijl s ASP 62 CO 0.69 -0.48 0.14 -0.44 0.21 0.00 0.00 175.17 175.30 1ijl s SER 63 N -0.41 6.37 0.53 0.27 0.01 -1.26 -1.25 113.70 117.97 1ijl s SER 63 Ca 0.50 0.45 0.02 0.00 1.31 0.00 0.00 55.95 58.22 1ijl s SER 63 Cb -0.38 -2.08 0.01 0.00 0.21 0.00 0.00 66.02 63.78 1ijl s SER 63 CO 0.49 0.37 0.15 -0.72 0.41 0.00 0.00 173.24 173.94 1ijl s TYR 64 N -0.82 1.70 0.14 2.43 1.13 -1.26 -4.91 117.35 115.75 1ijl s TYR 64 Ca 0.14 -0.94 0.10 0.00 -1.41 0.00 0.00 57.07 54.96 1ijl s TYR 64 Cb -0.12 -1.70 -0.04 0.00 -1.10 0.00 0.00 41.96 39.00 1ijl s TYR 64 CO 0.03 -0.05 -0.20 0.99 -2.51 0.00 0.00 175.55 173.81 1ijl s THR 65 N -2.86 2.69 0.02 -3.49 2.01 -1.26 -4.96 115.64 107.79 1ijl s THR 65 Ca 0.13 -1.64 -0.28 0.00 0.31 0.00 0.00 61.69 60.22 1ijl s THR 65 Cb -0.00 -2.24 0.08 0.00 0.01 0.00 0.00 72.50 70.34 1ijl s THR 65 CO 0.08 0.05 0.69 -0.72 -0.69 0.00 0.00 174.62 174.04 1ijl s TYR 66 N -1.25 -0.57 0.27 4.92 -0.85 -1.26 -0.28 117.35 118.33 1ijl s TYR 66 Ca 0.18 0.72 0.03 0.00 -0.52 0.00 0.00 57.07 57.48 1ijl s TYR 66 Cb -0.10 0.48 -0.01 0.00 0.38 0.00 0.00 41.96 42.71 1ijl s TYR 66 CO 0.10 -0.67 0.10 -1.13 -1.52 0.00 0.00 175.55 172.43 1ijl n SER 67 N 0.33 0.98 -3.89 -0.18 3.41 -0.30 -4.94 113.62 109.02 1ijl n SER 67 Ca -0.17 -2.44 -0.30 0.00 -0.26 0.00 0.00 58.87 55.70 1ijl n SER 67 Cb 0.60 0.72 -0.15 0.00 -0.26 0.00 0.00 64.21 65.12 1ijl n SER 67 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1ijl s GLU 68 N -3.02 1.28 -0.39 4.33 2.02 -1.26 -1.95 118.70 119.72 1ijl s GLU 68 Ca 0.15 -1.15 -0.05 0.00 0.02 0.00 0.00 54.97 53.94 1ijl s GLU 68 Cb 0.01 -2.52 0.08 0.00 0.10 0.00 0.00 34.13 31.80 1ijl s GLU 68 CO 0.10 -0.77 0.18 -1.83 0.02 0.00 0.00 175.26 172.97 1ijl s GLU 69 N 1.39 2.33 -0.49 1.61 -1.05 -0.19 -4.59 118.70 117.72 1ijl s GLU 69 Ca 0.02 -1.56 -0.02 0.00 -0.15 0.00 0.00 54.97 53.26 1ijl s GLU 69 Cb -0.18 -3.58 0.00 0.00 -0.44 0.00 0.00 34.13 29.93 1ijl s GLU 69 CO -0.12 -0.93 0.42 0.09 0.95 0.00 0.00 175.26 175.68 1ijl n ASN 70 N 4.73 -3.02 -0.06 0.83 5.03 -1.26 -3.03 115.26 118.48 1ijl n ASN 70 Ca -0.08 -0.21 -0.01 0.00 0.87 0.00 0.00 54.58 55.15 1ijl n ASN 70 Cb 0.42 -2.22 -0.00 0.00 -1.02 0.00 0.00 39.78 36.96 1ijl n ASN 70 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ijl n GLY 71 N -1.06 0.26 3.51 7.41 0.00 -1.26 -4.98 105.19 109.07 1ijl n GLY 71 Ca -0.04 -0.03 -0.26 0.00 0.00 0.00 0.00 46.02 45.70 1ijl n GLY 71 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1ijl s ASP 72 N -2.05 3.87 -0.17 1.61 1.47 -1.17 -5.05 116.67 115.18 1ijl s ASP 72 Ca 0.00 -0.78 -0.16 0.00 1.18 0.00 0.00 52.55 52.80 1ijl s ASP 72 Cb 0.00 -0.49 -0.04 0.00 -0.34 0.00 0.00 42.92 42.05 1ijl s ASP 72 CO 0.00 0.09 0.39 -0.63 0.68 0.00 0.00 175.17 175.69 1ijl s ILE 73 N -1.92 5.23 -0.08 2.11 -1.09 -1.26 -1.02 121.20 123.17 1ijl s ILE 73 Ca 0.25 0.73 0.05 0.00 -2.23 0.00 0.00 60.65 59.45 1ijl s ILE 73 Cb -0.07 -3.72 -0.00 0.00 -1.58 0.00 0.00 42.46 37.08 1ijl s ILE 73 CO 0.14 0.31 -0.23 0.68 -1.23 0.00 0.00 174.94 174.61 1ijl s VAL 74 N 0.87 1.96 0.26 2.92 -7.23 -0.82 -4.96 120.40 113.40 1ijl s VAL 74 Ca 0.20 -0.98 -0.23 0.00 -1.81 0.00 0.00 61.98 59.16 1ijl s VAL 74 Cb -0.14 -1.69 -0.09 0.00 0.56 0.00 0.00 36.38 35.02 1ijl s VAL 74 CO 0.07 0.54 0.83 0.00 -0.31 0.00 0.00 175.10 176.23 1ijl s GLY 76 N -1.59 2.76 0.00 0.00 0.00 0.62 -4.93 107.32 104.18 1ijl s GLY 76 Ca 0.46 0.84 0.22 0.00 0.00 0.00 0.00 44.72 46.23 1ijl s GLY 76 CO 0.23 1.75 1.15 0.61 0.00 0.00 0.00 173.10 176.83 1ijl n GLY 77 N 2.25 0.54 0.32 0.20 0.00 -1.26 -4.29 105.19 102.94 1ijl n GLY 77 Ca 0.04 -0.63 -0.10 0.00 0.00 0.00 0.00 46.02 45.32 1ijl n GLY 77 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ijl h ASP 78 N 3.64 -0.94 -3.59 1.61 3.32 -1.99 -3.33 116.42 115.14 1ijl h ASP 78 Ca 0.00 0.14 -0.66 0.00 0.02 0.00 0.00 57.03 56.53 1ijl h ASP 78 Cb 0.85 0.40 -0.16 0.00 0.22 0.00 0.00 39.33 40.65 1ijl h ASP 78 CO 0.00 -0.34 -0.08 -0.62 -1.72 0.00 0.00 179.24 176.48 1ijl s ASP 79 N -4.94 6.28 0.18 6.45 -1.08 -1.26 -4.98 116.67 117.31 1ijl s ASP 79 Ca -0.15 -0.26 -0.15 0.00 -0.52 0.00 0.00 52.55 51.47 1ijl s ASP 79 Cb 0.11 -2.26 0.15 0.00 -1.46 0.00 0.00 42.92 39.45 1ijl s ASP 79 CO 0.66 -0.55 1.70 -0.65 0.52 0.00 0.00 175.17 176.85 1ijl h PRO 80 N 8.61 0.12 -0.32 4.34 0.11 -1.92 -2.68 132.00 140.27 1ijl h PRO 80 Ca -0.27 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.80 1ijl h PRO 80 Cb 1.12 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1ijl h PRO 80 CO 0.79 0.08 0.07 0.00 -0.21 0.00 0.00 178.00 178.73 1ijl h LYS 82 N 0.35 0.00 0.00 0.00 1.57 -1.93 -1.84 116.57 114.73 1ijl h LYS 82 Ca 0.10 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.76 1ijl h LYS 82 Cb 0.31 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 1ijl h LYS 82 CO 0.00 0.14 -0.58 -0.09 -0.57 0.00 0.00 179.45 178.35 1ijl h ARG 83 N 0.00 0.00 -0.07 3.15 2.43 -1.33 -1.87 114.38 116.69 1ijl h ARG 83 Ca -0.00 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.03 1ijl h ARG 83 Cb 0.45 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 1ijl h ARG 83 CO 0.02 0.58 -0.58 1.49 -1.51 0.00 0.00 179.97 179.97 1ijl h GLU 84 N 0.00 0.22 -0.12 0.20 4.81 -1.24 -1.53 114.58 116.92 1ijl h GLU 84 Ca -0.01 -0.15 -0.10 0.00 -0.13 0.00 0.00 59.36 58.98 1ijl h GLU 84 Cb 1.11 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.51 1ijl h GLU 84 CO 0.08 0.74 -0.31 0.82 -0.73 0.00 0.00 179.01 179.61 1ijl h ILE 85 N 0.17 1.38 -0.72 2.32 2.04 -1.21 -2.84 117.51 118.64 1ijl h ILE 85 Ca -0.00 -1.61 -0.01 0.00 1.00 0.00 0.00 64.86 64.24 1ijl h ILE 85 Cb 1.08 2.09 -0.03 0.00 -0.74 0.00 0.00 36.82 39.21 1ijl h ILE 85 CO 0.09 0.48 0.43 0.00 0.00 0.00 0.00 178.15 179.14 1ijl h GLU 87 N 0.98 1.05 -0.24 0.00 4.39 -1.27 0.64 114.58 120.13 1ijl h GLU 87 Ca 0.26 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.88 1ijl h GLU 87 Cb -0.02 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 28.38 1ijl h GLU 87 CO -0.05 0.69 0.10 0.00 -1.16 0.00 0.00 179.01 178.59 1ijl h ASP 89 N 0.23 0.65 -0.13 0.00 3.32 -1.04 -2.81 116.42 116.64 1ijl h ASP 89 Ca 0.08 -0.53 0.01 0.00 0.02 0.00 0.00 57.03 56.61 1ijl h ASP 89 Cb 0.17 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 1ijl h ASP 89 CO -0.01 1.05 0.05 -0.09 -1.72 0.00 0.00 179.24 178.52 1ijl h ARG 90 N 0.26 0.11 -0.26 3.56 2.43 0.32 -0.33 114.38 120.47 1ijl h ARG 90 Ca 0.02 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.14 1ijl h ARG 90 Cb 0.92 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.43 1ijl h ARG 90 CO 0.08 0.07 -0.01 0.28 -1.51 0.00 0.00 179.97 178.87 1ijl h VAL 91 N 0.11 1.17 -0.20 0.20 2.07 -1.16 -2.10 116.25 116.33 1ijl h VAL 91 Ca 0.06 -0.67 -0.17 0.00 0.82 0.00 0.00 66.70 66.74 1ijl h VAL 91 Cb 0.03 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1ijl h VAL 91 CO -0.06 0.22 -0.52 0.00 0.02 0.00 0.00 177.57 177.24 1ijl h ALA 92 N 1.61 0.34 -0.59 1.67 0.00 -1.19 -1.53 119.26 119.57 1ijl h ALA 92 Ca 0.08 -0.50 0.01 0.00 0.00 0.00 0.00 54.91 54.50 1ijl h ALA 92 Cb 0.28 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1ijl h ALA 92 CO 0.01 0.53 0.39 0.00 0.00 0.00 0.00 179.25 180.18 1ijl h ALA 93 N 0.60 0.74 -0.14 0.00 0.00 -0.77 -1.21 119.26 118.48 1ijl h ALA 93 Ca -0.01 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 1ijl h ALA 93 Cb 1.13 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1ijl h ALA 93 CO 0.11 0.18 -0.33 -0.44 0.00 0.00 0.00 179.25 178.77 1ijl h ASP 94 N 0.79 0.30 -0.43 0.00 5.19 -1.36 -2.54 116.42 118.37 1ijl h ASP 94 Ca 0.21 -0.11 -0.09 0.00 -0.62 0.00 0.00 57.03 56.43 1ijl h ASP 94 Cb -0.09 -0.08 -0.02 0.00 0.18 0.00 0.00 39.33 39.32 1ijl h ASP 94 CO -0.05 0.62 -0.06 0.00 -3.12 0.00 0.00 179.24 176.63 1ijl h PHE 96 N 0.80 0.92 -0.40 0.00 0.05 -0.94 -2.78 116.94 114.59 1ijl h PHE 96 Ca 0.14 -0.19 -0.05 0.00 3.82 0.00 0.00 57.97 61.69 1ijl h PHE 96 Cb 0.56 -0.23 -0.02 0.00 2.00 0.00 0.00 35.95 38.27 1ijl h PHE 96 CO 0.03 0.92 0.06 -0.09 -0.18 0.00 0.00 178.31 179.05 1ijl h ARG 97 N 0.66 0.67 0.00 1.51 2.43 -1.28 -2.84 114.38 115.52 1ijl h ARG 97 Ca 0.11 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1ijl h ARG 97 Cb 0.61 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 1ijl h ARG 97 CO 0.04 0.72 0.00 -0.44 -1.51 0.00 0.00 179.97 178.77 1ijl h ASP 98 N 0.51 0.00 -0.40 -3.80 3.45 -1.27 -3.06 116.42 111.86 1ijl h ASP 98 Ca 0.12 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.58 1ijl h ASP 98 Cb 0.38 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.15 1ijl h ASP 98 CO 0.01 0.00 0.00 0.59 -1.57 0.00 0.00 179.24 178.27 1ijl n ASN 99 N -2.79 3.37 0.25 6.45 3.02 -1.05 -4.54 115.26 119.96 1ijl n ASN 99 Ca 0.01 -2.21 0.15 0.00 -0.03 0.00 0.00 54.58 52.50 1ijl n ASN 99 Cb 0.25 -0.34 0.83 0.00 -0.61 0.00 0.00 39.78 39.90 1ijl n ASN 99 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1ijl h LEU 100 N 2.42 0.00 -2.41 3.41 3.38 -1.40 -1.28 115.31 119.44 1ijl h LEU 100 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1ijl h LEU 100 Cb 0.94 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.69 1ijl h LEU 100 CO 0.06 0.00 -0.03 -2.24 0.09 0.00 0.00 178.44 176.32 1ijl h ASP 101 N 0.00 0.00 -0.02 -0.43 -0.00 -1.84 -2.65 116.42 111.48 1ijl h ASP 101 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.07 1ijl h ASP 101 Cb 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.53 1ijl h ASP 101 CO -0.00 0.03 0.00 0.35 -0.00 0.00 0.00 179.24 179.62 1ijl n THR 102 N -3.44 0.60 -1.68 1.15 -2.24 -0.51 -5.02 114.28 103.13 1ijl n THR 102 Ca -0.02 -0.80 -0.48 0.00 -2.27 0.00 0.00 64.05 60.48 1ijl n THR 102 Cb 0.14 0.71 -0.05 0.00 -2.10 0.00 0.00 70.33 69.04 1ijl n THR 102 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ijl n TYR 103 N -0.20 2.33 -3.26 4.78 4.19 -1.00 -4.91 117.16 119.09 1ijl n TYR 103 Ca 0.01 -0.00 -0.25 0.00 3.31 0.00 0.00 57.90 60.96 1ijl n TYR 103 Cb 0.17 -2.66 -0.07 0.00 0.49 0.00 0.00 39.34 37.27 1ijl n TYR 103 CO 0.00 0.00 0.00 -1.71 0.91 0.00 0.00 176.86 176.06 1ijl n ASN 104 N 6.59 2.66 0.26 2.98 4.05 -1.26 -4.91 115.26 125.64 1ijl n ASN 104 Ca 0.23 -3.24 0.13 0.00 0.45 0.00 0.00 54.58 52.14 1ijl n ASN 104 Cb 0.29 -0.64 0.71 0.00 1.23 0.00 0.00 39.78 41.38 1ijl n ASN 104 CO 0.00 0.00 0.00 0.77 -3.05 0.00 0.00 177.26 174.98 1ijl h SER 105 N 3.83 0.00 -0.24 1.20 4.64 -1.94 -1.05 113.55 119.99 1ijl h SER 105 Ca 0.14 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.54 1ijl h SER 105 Cb 0.72 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.80 1ijl h SER 105 CO 0.70 0.12 0.19 0.44 -0.87 0.00 0.00 176.83 177.41 1ijl h ASP 106 N 0.00 0.00 0.00 4.97 3.45 -1.95 -2.20 116.42 120.69 1ijl h ASP 106 Ca -0.00 0.00 -0.33 0.00 0.43 0.00 0.00 57.03 57.13 1ijl h ASP 106 Cb 0.37 0.00 -0.05 0.00 -0.56 0.00 0.00 39.33 39.09 1ijl h ASP 106 CO 0.02 0.00 -2.12 0.41 -1.57 0.00 0.00 179.24 175.97 1ijl n THR 107 N -4.33 1.11 1.08 0.35 -1.04 -0.78 -4.77 114.28 105.90 1ijl n THR 107 Ca 0.03 -0.32 0.12 0.00 -2.04 0.00 0.00 64.05 61.84 1ijl n THR 107 Cb 0.34 -1.60 0.31 0.00 -1.82 0.00 0.00 70.33 67.55 1ijl n THR 107 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1ijl n TYR 108 N -3.66 0.13 -2.47 -1.42 4.02 -0.47 -4.68 117.16 108.61 1ijl n TYR 108 Ca -0.38 -0.06 -0.42 0.00 -0.01 0.00 0.00 57.90 57.02 1ijl n TYR 108 Cb 0.81 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 40.10 1ijl n TYR 108 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 176.86 175.39 1ijl s TRP 109 N -1.87 3.49 -1.43 -0.72 -0.11 -0.83 -0.89 118.94 116.57 1ijl s TRP 109 Ca 0.34 1.39 -0.04 0.00 1.22 0.00 0.00 56.10 59.00 1ijl s TRP 109 Cb 0.20 -3.36 0.03 0.00 -1.50 0.00 0.00 33.47 28.84 1ijl s TRP 109 CO 0.31 -1.02 0.62 0.54 -4.62 0.00 0.00 176.95 172.77 1ijl n ARG 110 N 3.79 -4.06 -1.85 5.86 1.74 -0.16 -4.87 116.66 117.12 1ijl n ARG 110 Ca 0.08 0.49 -0.42 0.00 -0.77 0.00 0.00 57.85 57.23 1ijl n ARG 110 Cb 0.47 -4.92 -0.03 0.00 -1.02 0.00 0.00 32.46 26.97 1ijl n ARG 110 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1ijl s TYR 111 N -3.71 2.97 0.17 -1.55 5.04 -1.17 -4.89 117.35 114.21 1ijl s TYR 111 Ca 0.19 0.56 -0.33 0.00 -2.44 0.00 0.00 57.07 55.05 1ijl s TYR 111 Cb -0.10 -4.02 -0.16 0.00 0.35 0.00 0.00 41.96 38.04 1ijl s TYR 111 CO 0.86 -3.73 1.12 -2.30 -1.34 0.00 0.00 175.55 170.16 1ijl n PRO 112 N 3.70 1.05 0.07 4.97 -0.02 -1.26 -4.87 135.00 138.64 1ijl n PRO 112 Ca 0.14 0.37 0.09 0.00 -2.02 0.00 0.00 63.50 62.08 1ijl n PRO 112 Cb 0.37 -1.84 0.55 0.00 -0.02 0.00 0.00 33.50 32.56 1ijl n PRO 112 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ijl h ARG 113 N 3.17 0.26 0.00 -0.52 -0.00 -1.98 -2.04 114.38 113.28 1ijl h ARG 113 Ca -0.43 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.98 59.03 1ijl h ARG 113 Cb 1.35 -0.06 -0.00 0.00 0.00 0.00 0.00 29.97 31.26 1ijl h ARG 113 CO 0.69 0.17 -0.01 -0.56 0.00 0.00 0.00 179.97 180.26 1ijl h GLN 114 N 0.27 0.00 0.00 0.04 3.07 -2.03 -1.75 115.11 114.71 1ijl h GLN 114 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.88 1ijl h GLN 114 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.79 1ijl h GLN 114 CO -0.03 0.01 -0.02 -0.25 0.09 0.00 0.00 178.83 178.63 1ijl n ASP 115 N -3.26 0.51 -1.16 0.06 10.43 -0.77 -3.67 116.55 118.70 1ijl n ASP 115 Ca -0.02 0.53 -0.05 0.00 2.57 0.00 0.00 54.79 57.81 1ijl n ASP 115 Cb 0.13 -0.65 0.17 0.00 1.84 0.00 0.00 41.12 42.60 1ijl n ASP 115 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1ijl h GLU 117 N 1.25 0.00 -6.98 0.00 5.08 -1.65 -2.96 114.58 109.32 1ijl h GLU 117 Ca 0.18 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 58.06 1ijl h GLU 117 Cb 1.36 0.00 0.22 0.00 0.50 0.00 0.00 28.75 30.82 1ijl h GLU 117 CO 0.36 0.13 -0.32 0.39 -1.00 0.00 0.00 179.01 178.57 1ijl n GLU 118 N -2.91 -1.39 -2.47 2.33 1.02 -1.26 -4.75 120.64 111.20 1ijl n GLU 118 Ca -0.00 -0.37 -0.42 0.00 -0.02 0.00 0.00 57.16 56.35 1ijl n GLU 118 Cb 0.63 -2.05 -0.03 0.00 -0.02 0.00 0.00 31.44 29.97 1ijl n GLU 118 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1ijl s SER 119 N -2.25 7.17 0.75 1.62 0.15 -1.26 -2.38 113.70 117.50 1ijl s SER 119 Ca 0.63 2.04 -0.15 0.00 0.70 0.00 0.00 55.95 59.16 1ijl s SER 119 Cb -0.21 -2.59 0.02 0.00 -1.71 0.00 0.00 66.02 61.53 1ijl s SER 119 CO 0.64 -0.35 0.96 -0.81 1.20 0.00 0.00 173.24 174.88 1ijl n PRO 120 N 3.22 0.41 -2.37 5.44 -0.04 -1.26 -4.60 135.00 135.80 1ijl n PRO 120 Ca 0.06 0.20 -0.37 0.00 -0.04 0.00 0.00 63.50 63.35 1ijl n PRO 120 Cb 0.46 -2.23 -0.02 0.00 -0.04 0.00 0.00 33.50 31.68 1ijl n PRO 120 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1ijl s GLU 121 N -3.46 3.89 0.68 0.54 2.02 -1.25 -4.97 118.70 116.16 1ijl s GLU 121 Ca 0.72 1.66 -0.15 0.00 0.02 0.00 0.00 54.97 57.22 1ijl s GLU 121 Cb -0.33 -2.43 0.01 0.00 0.10 0.00 0.00 34.13 31.49 1ijl s GLU 121 CO 0.51 -0.42 1.16 -1.25 0.02 0.00 0.00 175.26 175.29 1ijl s PRO 122 N -2.67 2.53 0.00 0.39 0.04 -1.26 -5.12 135.00 128.91 1ijl s PRO 122 Ca 0.62 1.61 0.24 0.00 0.04 0.00 0.00 61.00 63.51 1ijl s PRO 122 Cb -0.26 -1.90 1.43 0.00 0.04 0.00 0.00 34.50 33.81 1ijl s PRO 122 CO 0.31 -1.50 1.79 0.00 0.04 0.00 0.00 177.00 177.64